Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | TACR1 | P25103 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL692556 | 0.84 | SLC6A2 (0.47) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL6830505 | 0.78 | TSHR (0.50) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL19677122 | 0.76 | SLC1A3 (0.42) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL23476703 | 0.76 | CYP1A2 (0.50) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL223907 | 0.75 | TSHR (0.78) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL29045033 | 0.75 | TSHR (0.44) | TSHRKDM4EPOLBKMT2A | |
| SCHEMBL13641899 | 0.75 | TSHR (0.56) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL14086326 | 0.74 | TSHR (0.45) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL1520889 | 0.73 | CA1 (0.59) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL17525899 | 0.73 | TSHR (0.48) | TSHRCA1CA2CA7CA9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004069774-A2 | SYNTHESIS OF 13C-LABELLED ESTROGEN ANALOGUES | THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) | 2004-08-19 | — | — | WO | disclosed |